Aruoja, V.; Moosus, M.; Kahru, A.; Sihtmäe, M.; Maran, U. Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata. Chemosphere 2014, 96, 23-32
Compound
| ID: | 91 | |
|---|---|---|
| Name: | 2,3,6-trimethylphenol | |
| Description: | ||
| Labels: | Validation, Phenols, Polar_narcotics | |
| CAS: | 2416-94-6 | |
| InChi Code: | InChI=1S/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H3 |
Properties
pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]
| Value | Source or prediction |
|---|---|
| 0.98 |
experimental value |
| 0.74 |
Tab4b: Main model (Validation) |
| 0.856 |
Tab4c: Response surface model (Validation) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6022187 | US EPA CompTox Dashboard |